Strain engineering multiferroism in Pnma NaMnF3 fluoroperovskite

Abstract

In this study we show from first principles calculations the possibility to induce multiferroic and magnetoelectric functional properties in the Pnma NaMnF3 fluoroperovskite by means of epitaxial strain engineering. Surprisingly, we found a very strong non-linear polarization-strain coupling that drives an atypical amplification of the ferroelectric polarization for either compression or expansion of the cell. This property is associated with a non-collinear antiferromagnetic ordering, which induces a weak ferromagnetism and thus, making the strained NaMnF3 fluoroperovskite multiferroic. We also calculate the magnetoelectric response and we found it to be composed by linear and non-linear components with amplitudes similar to the ones of Cr2O3. These properties show that it is possible to move the fluoride family toward functional applications with unique responses.

References in corpus (7)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics
• Importance of second-order piezoelectric effects in zincblende semiconductors
• `Ferroelectric' Metals Reexamined: Fundamental Mechanisms and Design Considerations for New Materials
• Metallic ferroelectricity induced by anisotropic unscreened coulomb interaction in LiOsO3
• A-site driven ferroelectricity in strained ferromagnetic L2NiMnO6 thin films

Cited by in corpus (12)

• Direct magnetization-polarization coupling in BaCuF${}_4$ fluoride
• Incipient geometric lattice instability of cubic fluoroperovskites
• Convert widespread paraelectric perovskite to ferroelectrics
• Weak ferromagnetism and short range polar order in NaMnF${}_3$ thin films
• Lattice dynamics across the ferroelastic phase transition in Ba2ZnTeO6: A Raman and first-principles study
• Structural and electronic phenomena at oxyfluoride KTaO${}_3$/K$M$F${}_3$ ($M$ = Zn and Ni) superlattices: Rashba splitting and 2DEG
• Strain-engineered high-temperature ferromagnetic Oxygen-substituted NaMnF3 from first principles
• Computational studies on magnetism and ferroelectricity
• Accuracy of metaGGA functionals in describing transition metal fluorides
• Chiral symmetry and magnetism in a 3D Kagome lattice: RPt${}_2$B (R = La and Nd) prototype crystals
• Large geometric polarization and magnetic behavior in the multiferroic quasi-2D SrNiF${}_4$ fluoride
• Engineering of Ferroic Orders in Thin Films by Anionic Substitution